BDBM205119 2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2- yl)phenyl]carbonyl}-6- methylpiperidin-3-yl]oxy}-3- methylpyridine-4-carbonitrile::US9546152, example 28

SMILES: C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-c1nccs1)Oc1nccc(C#N)c1C

InChI Key: InChIKey=BRNNGDLYXKPTJY-RDTXWAMCSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 205119   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin receptor type 2 (Homo sapiens (Human))	BDBM205119 (2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2- yl)phe...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-c1nccs1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C23H21FN4O2S/c1-14-3-5-18(30-21-15(2)16(12-25)7-8-26-21)13-28(14)23(29)20-11-17(24)4-6-19(20)22-27-9-10-31-22/h4,6-11,14,18H,3,5,13H2,1-2H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...				US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM205119 (2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2- yl)phe...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-c1nccs1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C23H21FN4O2S/c1-14-3-5-18(30-21-15(2)16(12-25)7-8-26-21)13-28(14)23(29)20-11-17(24)4-6-19(20)22-27-9-10-31-22/h4,6-11,14,18H,3,5,13H2,1-2H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...				US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM205119 (2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2- yl)phe...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-c1nccs1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C23H21FN4O2S/c1-14-3-5-18(30-21-15(2)16(12-25)7-8-26-21)13-28(14)23(29)20-11-17(24)4-6-19(20)22-27-9-10-31-22/h4,6-11,14,18H,3,5,13H2,1-2H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...				US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM205119 (2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2- yl)phe...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-c1nccs1)Oc1nccc(C#N)c1C |r| Show InChI InChI=1S/C23H21FN4O2S/c1-14-3-5-18(30-21-15(2)16(12-25)7-8-26-21)13-28(14)23(29)20-11-17(24)4-6-19(20)22-27-9-10-31-22/h4,6-11,14,18H,3,5,13H2,1-2H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...				US Patent US9546152 (2017) BindingDB Entry DOI: 10.7270/Q2D50PZW
					More data for this Ligand-Target Pair